N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile

C122H89F10N23O5 — CID 162110586

IUPACN-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
SMILESCC1=C(C(=O)N(Cc2ccc(F)cc2F)Cc2nncn2Cc2ccc(C#N)cc2)Cc2ccccc21.N#Cc1ccc(Cn2cnnc2CN(C(=O)c2ccc3ccccc3n2)c2ccc(Oc3ccccc3)cc2)cc1.N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)cc1.N#Cc1ccc(Cn2cnnc2CN(c2ccc(Oc3ccccc3)cc2)c2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C33H24N6O2.C32H22F5N5O.C29H23F2N5O.C28H20F3N7O/c34-20-24-10-12-25(13-11-24)21-38-23-35-37-32(38)22-39(33(40)31-19-14-26-6-4-5-9-30(26)36-31)27-15-17-29(18-16-27)41-28-7-2-1-3-8-28;33-26-13-12-25(29(34)15-26)18-41(19-30-40-39-20-42(30)17-22-10-8-21(16-38)9-11-22)31(43)24-5-3-4-23(14-24)27-6-1-2-7-28(27)32(35,36)37;1-19-25-5-3-2-4-22(25)12-26(19)29(37)35(16-23-10-11-24(30)13-27(23)31)17-28-34-33-18-36(28)15-21-8-6-20(14-32)7-9-21;29-28(30,31)25-14-15-33-27(35-25)38(22-10-12-24(13-11-22)39-23-4-2-1-3-5-23)18-26-36-34-19-37(26)17-21-8-6-20(16-32)7-9-21/h1-19,23H,21-22H2;1-15,20H,17-19H2;2-11,13,18H,12,15-17H2,1H3;1-15,19H,17-18H2
InChIKeyZGCFRMHPLPJBEE-UHFFFAOYSA-N
MW2147.19 g/mol
LogP24.56
Rot. Bonds31

About N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile

N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile (PubChem CID 162110586) has the molecular formula C122H89F10N23O5 and a molecular weight of 2147.19 g/mol. Its IUPAC name is N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound NameN-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
PubChem CID162110586
Molecular FormulaC122H89F10N23O5
Molecular Weight2147.19 g/mol
Exact Mass2145.73
IUPAC NameN-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
SMILESCC1=C(C(=O)N(Cc2ccc(F)cc2F)Cc2nncn2Cc2ccc(C#N)cc2)Cc2ccccc21.N#Cc1ccc(Cn2cnnc2CN(C(=O)c2ccc3ccccc3n2)c2ccc(Oc3ccccc3)cc2)cc1.N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)cc1.N#Cc1ccc(Cn2cnnc2CN(c2ccc(Oc3ccccc3)cc2)c2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C33H24N6O2.C32H22F5N5O.C29H23F2N5O.C28H20F3N7O/c34-20-24-10-12-25(13-11-24)21-38-23-35-37-32(38)22-39(33(40)31-19-14-26-6-4-5-9-30(26)36-31)27-15-17-29(18-16-27)41-28-7-2-1-3-8-28;33-26-13-12-25(29(34)15-26)18-41(19-30-40-39-20-42(30)17-22-10-8-21(16-38)9-11-22)31(43)24-5-3-4-23(14-24)27-6-1-2-7-28(27)32(35,36)37;1-19-25-5-3-2-4-22(25)12-26(19)29(37)35(16-23-10-11-24(30)13-27(23)31)17-28-34-33-18-36(28)15-21-8-6-20(14-32)7-9-21;29-28(30,31)25-14-15-33-27(35-25)38(22-10-12-24(13-11-22)39-23-4-2-1-3-5-23)18-26-36-34-19-37(26)17-21-8-6-20(16-32)7-9-21/h1-19,23H,21-22H2;1-15,20H,17-19H2;2-11,13,18H,12,15-17H2,1H3;1-15,19H,17-18H2
InChIKeyZGCFRMHPLPJBEE-UHFFFAOYSA-N
XLogP24.56
TPSA339.30 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.19
LogP ≤ 524.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?
The IUPAC name of N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile (CID 162110586) is N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?
The canonical SMILES for N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile is CC1=C(C(=O)N(Cc2ccc(F)cc2F)Cc2nncn2Cc2ccc(C#N)cc2)Cc2ccccc21.N#Cc1ccc(Cn2cnnc2CN(C(=O)c2ccc3ccccc3n2)c2ccc(Oc3ccccc3)cc2)cc1.N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)cc1.N#Cc1ccc(Cn2cnnc2CN(c2ccc(Oc3ccccc3)cc2)c2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?
The InChIKey is ZGCFRMHPLPJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6O2.C32H22F5N5O.C29H23F2N5O.C28H20F3N7O/c34-20-24-10-12-25(13-11-24)21-38-23-35-37-32(38)22-39(33(40)31-19-14-26-6-4-5-9-30(26)36-31)27-15-17-29(18-16-27)41-28-7-2-1-3-8-28;33-26-13-12-25(29(34)15-26)18-41(19-30-40-39-20-42(30)17-22-10-8-21(16-38)9-11-22)31(43)24-5-3-4-23(14-24)27-6-1-2-7-28(27)32(35,36)37;1-19-25-5-3-2-4-22(25)12-26(19)29(37)35(16-23-10-11-24(30)13-27(23)31)17-28-34-33-18-36(28)15-21-8-6-20(14-32)7-9-21;29-28(30,31)25-14-15-33-27(35-25)38(22-10-12-24(13-11-22)39-23-4-2-1-3-5-23)18-26-36-34-19-37(26)17-21-8-6-20(16-32)7-9-21/h1-19,23H,21-22H2;1-15,20H,17-19H2;2-11,13,18H,12,15-17H2,1H3;1-15,19H,17-18H2.
What are the key properties of N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?
N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile has a molecular weight of 2147.19 g/mol, XLogP of 24.56, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-methyl-1H-indene-2-carboxamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]benzamide;N-[[4-[(4-cyanophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(4-phenoxyphenyl)quinoline-2-carboxamide;4-[[3-[(4-phenoxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 162110586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).